SCHEMBL20419

SCHEMBL20419

COC(=O)CCCCCCC(=O)Nc1ccc2c(c1)/C(=C/c1[nH]c(C)cc1C)C(=O)N2

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.83
HDAC1 Q13547 4/20 0.83
HDAC2 Q92769 4/20 0.83
HDAC6 Q9UBN7 4/20 0.83
HDAC4 P56524 3/20 0.83
HDAC7 Q8WUI4 3/20 0.83
HDAC10 Q969S8 3/20 0.83
HDAC11 Q96DB2 3/20 0.83
HDAC8 Q9BY41 3/20 0.83
HDAC9 Q9UKV0 3/20 0.83
HDAC5 Q9UQL6 3/20 0.83
TLK2 Q86UE8 2/20 0.57
RET P07949 9/20 0.57
KDR P35968 7/20 0.55
PDPK1 O15530 2/20 0.55
NTRK1 P04629 2/20 0.54
PDGFRB P09619 5/20 0.54
FLT1 P17948 4/20 0.54
PDGFRA P16234 3/20 0.54
FLT3 P36888 3/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20420 1.00 HDAC3 (0.83) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL25446 0.99 HDAC3 (0.81) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL21719 0.91 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL21720 0.91 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL19725 0.90 HDAC3 (0.98) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL12473991 0.90 HDAC3 (0.84) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL19726 0.90 HDAC3 (0.98) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL19896 0.86 HDAC3 (0.78) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL21182 0.81 HDAC3 (0.81) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL21183 0.81 HDAC3 (0.81) HDAC3HDAC1HDAC2HDAC6HDAC4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012025726-A1 Novel Hybrid Compounds UNIVERSITY OF GREENWICH (GB) 2012-03-01 WO disclosed